General Information of the Compound
| Compound ID |
CP0435215
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| Compound Name |
N-[3-(1,1-difluoroethyl)phenyl]-1-(6-methoxypyridin-3-yl)-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C19H18F2N4O3
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| Molecular Weight |
388.374
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| Canonical SMILES |
COc1ccc(cn1)N1N=C(C)C(C(=O)Nc2cccc(c2)C(C)(F)F)C1=O
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| InChI |
InChI=1S/C19H18F2N4O3/c1-11-16(17(26)23-13-6-4-5-12(9-13)19(2,20)21)18(27)25(24-11)14-7-8-15(28-3)22-10-14/h4-10,16H,1-3H3,(H,23,26)
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| InChIKey |
QWGHASDPDLQLAP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound